Name: Lacutoclax
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219251826
Cas No:2291166-56-6
常用名:Lacutoclax
别名:乐托克拉, LP-108, LP108
IUPAC:4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-2-[(12R)-12-methyl-13-oxa-2,4,10-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3,5,7-tetraen-10-yl]-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzenesulfonyl)benzamide
IUPAC:4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-2-[(12R)-12-methyl-13-oxa-2,4,10-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3,5,7-tetraen-10-yl]-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzenesulfonyl)benzamide
InChI key:CCDRQWAEZGRMTP-WJOKGBTCSA-N

分子式:C48H55ClN8O7S
分子量:923.53
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H]1CN(c2cc3ccnc3[nH]c2O1)c1cc(ccc1C(=O)NS(=O)(=O)c1ccc(NCC2CCOCC2)c(c1)N(=O)=O)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
SMILES:C[C@@H]1CN(c2cc3ccnc3[nH]c2O1)c1cc(ccc1C(=O)NS(=O)(=O)c1ccc(NCC2CCOCC2)c(c1)N(=O)=O)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1

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